REMARK  Name = BDB018404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.205   4.654  -0.292  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.341   3.213  -0.144  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.604   2.643  -0.180  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.657   3.257  -0.325  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.646   1.168  -0.033  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.531   0.434   0.149  0.00  0.00    -0.003 A 
ATOM      7  C   LIG    1       -1.223   1.121   0.220  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.199   2.460   0.059  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.708  -1.026   0.236  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -2.276  -1.799  -0.780  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -2.430  -3.275  -0.732  0.00  0.00    +0.249 A 
ATOM     12  O   LIG    1       -2.039  -3.985  -1.650  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1       -3.034  -3.777   0.394  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -3.136  -4.784   0.424  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -3.482  -3.002   1.429  0.00  0.00    +0.086 A 
ATOM     16  C   LIG    1       -3.343  -1.672   1.382  0.00  0.00    +0.026 A 
ENDBRANCH   6   9
BRANCH   7  17
ATOM     17  C   LIG    1       -0.004   0.403   0.459  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.158   0.508  -0.274  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.089  -0.333   0.298  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.535  -1.021   1.336  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.293  -0.551   1.443  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.453  -0.573  -0.061  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        4.220   0.280  -0.878  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1        5.545  -0.077  -1.197  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        6.116  -1.249  -0.705  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.374  -2.078   0.126  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.058  -1.742   0.449  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1        3.781   1.557  -1.360  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        3.442   2.596  -1.751  0.00  0.00    -0.191 NA
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   7  17
TORSDOF 4